SCHEMBL2591869

SCHEMBL2591869

O=C(c1noc2c1CNC(S(=O)(=O)c1cccs1)C2)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 2/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.44
USP2 O75604 3/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2591867 1.00 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2PKMTSHR
SCHEMBL2582303 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PKMTSHR
SCHEMBL2582300 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2PKMTSHR
SCHEMBL2575998 0.73 TSHR (0.49) ALDH1A1LMNASMN1; SMN2TSHRTHRB
SCHEMBL4272861 0.72 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2TSHRTHRB
SCHEMBL2575995 0.72 THRB (0.51) ALDH1A1LMNASMN1; SMN2TSHRTHRB
SCHEMBL2575996 0.72 THRB (0.51) ALDH1A1LMNASMN1; SMN2TSHRTHRB
SCHEMBL25279841 0.63 SMN1; SMN2 (0.77) ALDH1A1LMNASMN1; SMN2TSHRTHRB
SCHEMBL5487379 0.62 LMNA (0.72) ALDH1A1LMNASMN1; SMN2USP2HTT
SCHEMBL5487375 0.62 LMNA (0.72) ALDH1A1LMNASMN1; SMN2USP2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP disclosed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 ALDH1A1 1107/4885LMNA 2302/4885SMN1; SMN2 4525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.